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Graph Neural Networks (GNNs) are a framework for graph representation learning, where a model learns to generate low dimensional node embeddings that encapsulate structural and feature-related information. GNNs are usually trained in an…

Machine Learning · Computer Science 2020-12-15 Davide Buffelli , Fabio Vandin

Reliable evaluations of geotechnical hazards like landslides and debris flow require accurate simulation of granular flow dynamics. Traditional numerical methods can simulate the complex behaviors of such flows that involve solid-like to…

Geophysics · Physics 2023-11-14 Yongjin Choi , Krishna Kumar

Despite much research, Graph Neural Networks (GNNs) still do not display the favorable scaling properties of other deep neural networks such as Convolutional Neural Networks and Transformers. Previous work has identified issues such as…

Machine Learning · Computer Science 2023-12-19 Ameen Ali , Hakan Cevikalp , Lior Wolf

The convergence behavior of classical iterative solvers for parametric partial differential equations (PDEs) is often highly sensitive to the domain and specific discretization of PDEs. Previously, we introduced hybrid solvers by combining…

Machine Learning · Computer Science 2025-12-17 Youngkyu Lee , Francesc Levrero Florencio , Jay Pathak , George Em Karniadakis

Graph Neural Networks (GNNs) is an architecture for structural data, and has been adopted in a mass of tasks and achieved fabulous results, such as link prediction, node classification, graph classification and so on. Generally, for a…

Machine Learning · Computer Science 2022-05-12 Ye Tang , Xuesong Yang , Xinrui Liu , Xiwei Zhao , Zhangang Lin , Changping Peng

This paper presents a novel approach to credit risk prediction by employing Graph Convolutional Neural Networks (GCNNs) to assess the creditworthiness of borrowers. Leveraging the power of big data and artificial intelligence, the proposed…

Machine Learning · Computer Science 2024-10-08 Mengfang Sun , Wenying Sun , Ying Sun , Shaobo Liu , Mohan Jiang , Zhen Xu

With the steady advance of high performance computing systems featuring smaller and smaller hardware components, the systems and algorithms used for numerical simulations increasingly contend with disruptions caused by hardware failures and…

Numerical Analysis · Mathematics 2022-02-09 Mike Gillard , Tommaso Benacchio

Graph Neural Networks (GNNs) are a promising deep learning approach for circumventing many real-world problems on graph-structured data. However, these models usually have at least one of four fundamental limitations: over-smoothing,…

Machine Learning · Computer Science 2022-10-03 Xun Liu , Alex Hay-Man Ng , Fangyuan Lei , Yikuan Zhang , Zhengmin Li

Graph neural networks (GNN) analysis engines are vital for real-world problems that use large graph models. Challenges for a GNN hardware platform include the ability to (a) host a variety of GNNs, (b) handle high sparsity in input vertex…

Hardware Architecture · Computer Science 2021-08-10 Sudipta Mondal , Susmita Dey Manasi , Kishor Kunal , S. Ramprasath , Sachin S. Sapatnekar

Graph neural networks (GNNs), an emerging class of machine learning models for graphs, have gained popularity for their superior performance in various graph analytical tasks. Mini-batch training is commonly used to train GNNs on large…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-15 Sandeep Polisetty , Juelin Liu , Kobi Falus , Yi Ren Fung , Seung-Hwan Lim , Hui Guan , Marco Serafini

Recently graph neural network (GNN) based algorithms were proposed to solve a variety of combinatorial optimization problems, including Maximum Cut problem, Maximum Independent Set problem and similar other…

Machine Learning · Computer Science 2023-06-06 David Gamarnik

As deep learning continues to advance and is applied to increasingly complex scenarios, the demand for concurrent deployment of multiple neural network models has arisen. This demand, commonly referred to as multi-tenant computing, is…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-04-25 Yongbo Yu , Fuxun Yu , Mingjia Zhang , Di Wang , Tolga Soyata , Chenchen Liu , Xiang Chen

We propose a mask pretraining method for Graph Neural Networks (GNNs) to improve their performance on fitting potential energy surfaces, particularly in water systems. GNNs are pretrained by recovering spatial information related to…

Machine Learning · Computer Science 2024-06-21 Zehua Zhang , Zijie Li , Amir Barati Farimani

Partitioning is a known problem in computer science and is critical in chip design workflows, as advancements in this area can significantly influence design quality and efficiency. Deep Learning (DL) techniques, particularly those…

Hardware Architecture · Computer Science 2024-09-04 Muhammad Hadir Khan , Bugra Onal , Eren Dogan , Matthew R. Guthaus

We leverage physics-embedded differentiable graph network simulators (GNS) to accelerate particulate and fluid simulations to solve forward and inverse problems. GNS represents the domain as a graph with particles as nodes and learned…

Geophysics · Physics 2023-09-26 Krishna Kumar , Yongjin Choi

Higher-order features bring significant accuracy gains in semantic dependency parsing. However, modeling higher-order features with exact inference is NP-hard. Graph neural networks (GNNs) have been demonstrated to be an effective tool for…

Computation and Language · Computer Science 2022-01-28 Bin Li , Yunlong Fan , Yikemaiti Sataer , Zhiqiang Gao

Despite the recent success of graph neural networks (GNN), common architectures often exhibit significant limitations, including sensitivity to oversmoothing, long-range dependencies, and spurious edges, e.g., as can occur as a result of…

Machine Learning · Computer Science 2021-12-06 Yongyi Yang , Tang Liu , Yangkun Wang , Jinjing Zhou , Quan Gan , Zhewei Wei , Zheng Zhang , Zengfeng Huang , David Wipf

In the field of chemistry, the objective is to create novel molecules with desired properties, facilitating accurate property predictions for applications such as material design and drug screening. However, existing graph deep learning…

Machine Learning · Computer Science 2024-08-28 Sakhinana Sagar Srinivas , Venkataramana Runkana

Graph Neural Networks (GNNs) are powerful machine learning models that excel at analyzing structured data represented as graphs, demonstrating remarkable performance in applications like social network analysis and recommendation systems.…

Quantum Physics · Physics 2024-05-28 Yidong Liao , Xiao-Ming Zhang , Chris Ferrie

Neural forecasting of spatiotemporal time series drives both research and industrial innovation in several relevant application domains. Graph neural networks (GNNs) are often the core component of the forecasting architecture. However, in…

Machine Learning · Computer Science 2023-02-21 Andrea Cini , Ivan Marisca , Filippo Maria Bianchi , Cesare Alippi